2AVS
 
 | | kinetics, stability, and structural changes in high resolution crystal structures of HIV-1 protease with drug resistant mutations L24I, I50V, and G73S | | Descriptor: | ACETIC ACID, DIMETHYL SULFOXIDE, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, ... | | Authors: | Liu, F, Boross, P.I, Wang, Y.F, Tozser, J, Louis, J.M, Harrison, R.W, Weber, I.T. | | Deposit date: | 2005-08-30 | | Release date: | 2006-01-24 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Kinetic, stability, and structural changes in high-resolution crystal structures of HIV-1 protease with drug-resistant mutations L24I, I50V, and G73S.
J.Mol.Biol., 354, 2005
|
|
5WLR
 | |
7LUF
 | | HSV1 polymerase ternary complex with dsDNA and PNU-183792 | | Descriptor: | DNA (5'-D(*CP*GP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*TP*AP*C)-3'), DNA (5'-D(P*AP*TP*GP*GP*TP*AP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*CP*G)-3'), DNA polymerase, ... | | Authors: | Hayes, R.P, Klein, D. | | Deposit date: | 2021-02-22 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structural understanding of non-nucleoside inhibition in an elongating herpesvirus polymerase.
Nat Commun, 12, 2021
|
|
1XYZ
 | |
1KF0
 | | Crystal Structure of Pig Muscle Phosphoglycerate Kinase Ternary Complex with AMP-PCP and 3PG | | Descriptor: | 3-PHOSPHOGLYCERIC ACID, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | Authors: | Kovari, Z, Flachner, B, Naray-Szabo, G, Vas, M. | | Deposit date: | 2001-11-19 | | Release date: | 2002-07-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystallographic and thiol-reactivity studies on the complex of pig muscle phosphoglycerate kinase with ATP analogues: correlation between nucleotide binding mode and helix flexibility.
Biochemistry, 41, 2002
|
|
3QNO
 | | RB69 DNA Polymerase (Y567A) Ternary Complex with dATP Opposite 3tCo | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA Polymerase, ... | | Authors: | Xia, S, Wang, M, Wang, J, Konigsberg, W.H. | | Deposit date: | 2011-02-08 | | Release date: | 2012-03-14 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Using a Fluorescent Cytosine Analogue tC(o) To Probe the Effect of the Y567 to Ala Substitution on the Preinsertion Steps of dNMP Incorporation by RB69 DNA Polymerase.
Biochemistry, 51, 2012
|
|
9CBE
 | |
2B7Z
 | | Structure of HIV-1 protease mutant bound to indinavir | | Descriptor: | HIV-1 protease, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | | Authors: | Clemente, J.C, Stow, L.R, Janka, L.K, Jeung, J.A, Desai, K.A, Govindasamy, L, Agbandje-McKenna, M, McKenna, R, Goodenow, M.M, Dunn, B.M. | | Deposit date: | 2005-10-05 | | Release date: | 2006-11-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | In vivo, kinetic, and structural analysis of the development of ritonavir resistance
To be Published
|
|
5OP2
 | | Structure of CHK1 10-pt. mutant complex with arylbenzamide LRRK2 inhibitor | | Descriptor: | 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-~{N}-pyridin-3-yl-benzamide, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | | Authors: | Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E. | | Deposit date: | 2017-08-09 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
|
|
5OQ8
 | | Structure of CHK1 12-pt. mutant complex with arylbenzamide LRRK2 inhibitor | | Descriptor: | 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-~{N}-pyridin-3-yl-benzamide, Serine/threonine-protein kinase Chk1 | | Authors: | Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E. | | Deposit date: | 2017-08-10 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1).
J. Med. Chem., 60, 2017
|
|
5EZS
 | |
5EZQ
 | |
7O2I
 | | METTL3-METTL14 heterodimer bound to the SAM competitive small molecule inhibitor STM2457 | | Descriptor: | DIMETHYL SULFOXIDE, N6-adenosine-methyltransferase catalytic subunit, N6-adenosine-methyltransferase non-catalytic subunit, ... | | Authors: | Pilka, E.S, Blackaby, W, Hardick, D, Harper, C, Hewstone, D, Ridgill, M, Rotty, B, Rausch, O. | | Deposit date: | 2021-03-30 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Small-molecule inhibition of METTL3 as a strategy against myeloid leukaemia.
Nature, 593, 2021
|
|
5WLV
 | | Carbonic Anhydrase II in complex with aryloxy-2-hydroxypropylammine sulfonamide | | Descriptor: | 4-{(2R)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Lomelino, C.L, Andring, J.T, McKenna, R. | | Deposit date: | 2017-07-27 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Discovery of beta-Adrenergic Receptors Blocker-Carbonic Anhydrase Inhibitor Hybrids for Multitargeted Antiglaucoma Therapy.
J. Med. Chem., 61, 2018
|
|
1DG5
 | | DIHYDROFOLATE REDUCTASE OF MYCOBACTERIUM TUBERCULOSIS COMPLEXED WITH NADPH AND TRIMETHOPRIM | | Descriptor: | DIHYDROFOLATE REDUCTASE, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Li, R, Sirawaraporn, R, Chitnumsub, P, Sirawaraporn, W, Wooden, J, Athappilly, F, Turley, S, Hol, W.G. | | Deposit date: | 1999-11-23 | | Release date: | 2000-03-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Three-dimensional structure of M. tuberculosis dihydrofolate reductase reveals opportunities for the design of novel tuberculosis drugs.
J.Mol.Biol., 295, 2000
|
|
1DG8
 | | DIHYDROFOLATE REDUCTASE OF MYCOBACTERIUM TUBERCULOSIS COMPLEXED WITH NADPH | | Descriptor: | DIHYDROFOLATE REDUCTASE, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Li, R, Sirawaraporn, R, Chitnumsub, P, Sirawaraporn, W, Wooden, J, Athappilly, F, Turley, S, Hol, W.G. | | Deposit date: | 1999-11-23 | | Release date: | 2000-03-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Three-dimensional structure of M. tuberculosis dihydrofolate reductase reveals opportunities for the design of novel tuberculosis drugs.
J.Mol.Biol., 295, 2000
|
|
2JEL
 | | JEL42 FAB/HPR COMPLEX | | Descriptor: | HISTIDINE-CONTAINING PROTEIN, JEL42 FAB FRAGMENT, SULFATE ION | | Authors: | Prasad, L, Waygood, E.B, Lee, J.S, Delbaere, L.T.J. | | Deposit date: | 1998-02-24 | | Release date: | 1998-05-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The 2.5 A resolution structure of the jel42 Fab fragment/HPr complex
J.Mol.Biol., 280, 1998
|
|
2AVO
 | | Kinetics, stability, and structural changes in high resolution crystal structures of HIV-1 protease with drug resistant mutations L24I, I50V, AND G73S | | Descriptor: | ACETIC ACID, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Liu, F, Boross, P.I, Wang, Y.F, Tozser, J, Louis, J.M, Harrison, R.W, Weber, I.T. | | Deposit date: | 2005-08-30 | | Release date: | 2006-01-24 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Kinetic, stability, and structural changes in high-resolution crystal structures of HIV-1 protease with drug-resistant mutations L24I, I50V, and G73S.
J.Mol.Biol., 354, 2005
|
|
4HST
 | | Crystal structure of a double mutant of a class III engineered cephalosporin acylase | | Descriptor: | 5,5-dihydroxy-L-norvaline, glutaryl-7-aminocephalosporanic acid acylase alpha chain, glutaryl-7-aminocephalosporanic acid acylase beta chain | | Authors: | Vrielink, A, Golden, E, Patterson, R, Tie, W.J, Anandan, A, Flematti, G, Molla, G, Rosini, E, Pollegioni, L. | | Deposit date: | 2012-10-30 | | Release date: | 2013-02-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.571 Å) | | Cite: | Structure of a class III engineered cephalosporin acylase: comparisons with class I acylase and implications for differences in substrate specificity and catalytic activity.
Biochem.J., 451, 2013
|
|
1FBA
 | | THE CRYSTAL STRUCTURE OF FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE FROM DROSOPHILA MELANOGASTER AT 2.5 ANGSTROMS RESOLUTION | | Descriptor: | FRUCTOSE 1,6-BISPHOSPHATE ALDOLASE | | Authors: | Piontek, K, Hester, G, Brenner-Holzach, O. | | Deposit date: | 1992-06-08 | | Release date: | 1993-10-31 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structure of fructose-1,6-bisphosphate aldolase from Drosophila melanogaster at 2.5 A resolution.
FEBS Lett., 292, 1991
|
|
1PK2
 | |
2AVV
 | | Kinetics, stability, and structural changes in high resolution crystal structures of HIV-1 protease with drug resistant mutations L24I, I50V, and G73S | | Descriptor: | ACETIC ACID, CHLORIDE ION, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, ... | | Authors: | Liu, F, Boross, P.I, Wang, Y.F, Tozser, J, Louis, J.M, Harrison, R.W, Weber, I.T. | | Deposit date: | 2005-08-30 | | Release date: | 2006-01-24 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Kinetic, stability, and structural changes in high-resolution crystal structures of HIV-1 protease with drug-resistant mutations L24I, I50V, and G73S.
J.Mol.Biol., 354, 2005
|
|
3RAX
 | |
1TPX
 | | Ovine recombinant PrP(114-234), ARQ variant in complex with the Fab of the VRQ14 antibody | | Descriptor: | major prion protein, the VRQ14 Fab | | Authors: | Eghiaian, F, Grosclaude, J, Lesceu, S, Debey, P, Doublet, B, Treguer, E, Rezaei, H, Knossow, M. | | Deposit date: | 2004-06-16 | | Release date: | 2004-07-06 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Insight into the PrPC -> PrPSc conversion from the structures of antibody-bound ovine prion scrapie-susceptibility variants.
Proc.Natl.Acad.Sci.USA, 101, 2004
|
|
2GDA
 | | REFINED SOLUTION STRUCTURE OF THE GLUCOCORTICOID RECEPTOR DNA-BINDING DOMAIN | | Descriptor: | GLUCOCORTICOID RECEPTOR, ZINC ION | | Authors: | Baumann, H, Paulsen, K, Kovacs, H, Berglund, H, Wright, A.P.H, Gustafsson, J.-A, Hard, T. | | Deposit date: | 1994-03-15 | | Release date: | 1994-06-22 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Refined solution structure of the glucocorticoid receptor DNA-binding domain.
Biochemistry, 32, 1993
|
|
